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Compile Data Set for Download or QSAR

Found 128 hits Enz. Inhib. hit(s) with all data for entry = 50010256   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536857
PNG
(CHEMBL4581663)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2c(F)cccc12 |r|
Show InChI InChI=1S/C23H20F2N2O3/c24-13-16(28)14-26-23(30)21(12-15-6-2-1-3-7-15)27-22(29)19-10-4-9-18-17(19)8-5-11-20(18)25/h1-11,21H,12-14H2,(H,26,30)(H,27,29)/t21-/m0/s1
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Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTRA4 and Actin-LC3B-dNGLuc after 24 hrs by luciferase release assay


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536857
PNG
(CHEMBL4581663)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2c(F)cccc12 |r|
Show InChI InChI=1S/C23H20F2N2O3/c24-13-16(28)14-26-23(30)21(12-15-6-2-1-3-7-15)27-22(29)19-10-4-9-18-17(19)8-5-11-20(18)25/h1-11,21H,12-14H2,(H,26,30)(H,27,29)/t21-/m0/s1
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Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536833
PNG
(CHEMBL4546760)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)c2ccccc12 |r|
Show InChI InChI=1S/C23H20F2N2O3/c24-13-16(28)14-26-23(30)21(12-15-6-2-1-3-7-15)27-22(29)19-10-11-20(25)18-9-5-4-8-17(18)19/h1-11,21H,12-14H2,(H,26,30)(H,27,29)/t21-/m0/s1
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Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTRA4 and Actin-LC3B-dNGLuc after 24 hrs by luciferase release assay


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536838
PNG
(CHEMBL4520267)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H21FN2O3/c24-14-18(27)15-25-23(29)21(13-16-7-2-1-3-8-16)26-22(28)20-12-6-10-17-9-4-5-11-19(17)20/h1-12,21H,13-15H2,(H,25,29)(H,26,28)/t21-/m0/s1
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Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTRA4 and Actin-LC3B-dNGLuc after 24 hrs by luciferase release assay


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536838
PNG
(CHEMBL4520267)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H21FN2O3/c24-14-18(27)15-25-23(29)21(13-16-7-2-1-3-8-16)26-22(28)20-12-6-10-17-9-4-5-11-19(17)20/h1-12,21H,13-15H2,(H,25,29)(H,26,28)/t21-/m0/s1
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Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Calpain-1/Calpain-2 catalytic subunit


(Homo sapiens (Human))
BDBM50536838
PNG
(CHEMBL4520267)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H21FN2O3/c24-14-18(27)15-25-23(29)21(13-16-7-2-1-3-8-16)26-22(28)20-12-6-10-17-9-4-5-11-19(17)20/h1-12,21H,13-15H2,(H,25,29)(H,26,28)/t21-/m0/s1
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Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of calpain (unknown origin) using calpain substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader a...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536833
PNG
(CHEMBL4546760)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)c2ccccc12 |r|
Show InChI InChI=1S/C23H20F2N2O3/c24-13-16(28)14-26-23(30)21(12-15-6-2-1-3-7-15)27-22(29)19-10-11-20(25)18-9-5-4-8-17(18)19/h1-11,21H,12-14H2,(H,26,30)(H,27,29)/t21-/m0/s1
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Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536856
PNG
(CHEMBL4520585)
Show SMILES CN(CC(=O)CF)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C24H23FN2O3/c1-27(16-19(28)15-25)24(30)22(14-17-8-3-2-4-9-17)26-23(29)21-13-7-11-18-10-5-6-12-20(18)21/h2-13,22H,14-16H2,1H3,(H,26,29)/t22-/m0/s1
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Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTRA4 and Actin-LC3B-dNGLuc after 24 hrs by luciferase release assay


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536844
PNG
(CHEMBL4553669)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnnc2ccccc12 |r|
Show InChI InChI=1S/C21H19FN4O3/c22-11-15(27)12-23-21(29)19(10-14-6-2-1-3-7-14)25-20(28)17-13-24-26-18-9-5-4-8-16(17)18/h1-9,13,19H,10-12H2,(H,23,29)(H,25,28)/t19-/m0/s1
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Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50536838
PNG
(CHEMBL4520267)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C23H21FN2O3/c24-14-18(27)15-25-23(29)21(13-16-7-2-1-3-8-16)26-22(28)20-12-6-10-17-9-4-5-11-19(17)20/h1-12,21H,13-15H2,(H,25,29)(H,26,28)/t21-/m0/s1
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Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin B (332 residues) expressed in CHO cells using Z-FR-AMC as substrate preincubated for 20 mins followed by su...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536856
PNG
(CHEMBL4520585)
Show SMILES CN(CC(=O)CF)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C24H23FN2O3/c1-27(16-19(28)15-25)24(30)22(14-17-8-3-2-4-9-17)26-23(29)21-13-7-11-18-10-5-6-12-20(18)21/h2-13,22H,14-16H2,1H3,(H,26,29)/t22-/m0/s1
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Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536844
PNG
(CHEMBL4553669)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnnc2ccccc12 |r|
Show InChI InChI=1S/C21H19FN4O3/c22-11-15(27)12-23-21(29)19(10-14-6-2-1-3-7-14)25-20(28)17-13-24-26-18-9-5-4-8-16(17)18/h1-9,13,19H,10-12H2,(H,23,29)(H,25,28)/t19-/m0/s1
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Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTRA4 and Actin-LC3B-dNGLuc after 24 hrs by luciferase release assay


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536845
PNG
(CHEMBL4567870)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C22H20FN3O3/c23-13-16(27)14-25-22(29)20(12-15-6-2-1-3-7-15)26-21(28)18-10-11-24-19-9-5-4-8-17(18)19/h1-11,20H,12-14H2,(H,25,29)(H,26,28)/t20-/m0/s1
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Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50536839
PNG
(CHEMBL2402203 | acs.jmedchem.1c00409_ST.724)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF |r|
Show InChI InChI=1S/C21H23FN2O4/c1-15(19(25)13-22)23-20(26)18(12-16-8-4-2-5-9-16)24-21(27)28-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,23,26)(H,24,27)/t15-,18-/m0/s1
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Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin B (332 residues) expressed in CHO cells using Z-FR-AMC as substrate preincubated for 20 mins followed by su...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536845
PNG
(CHEMBL4567870)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccnc2ccccc12 |r|
Show InChI InChI=1S/C22H20FN3O3/c23-13-16(27)14-25-22(29)20(12-15-6-2-1-3-7-15)26-21(28)18-10-11-24-19-9-5-4-8-17(18)19/h1-11,20H,12-14H2,(H,25,29)(H,26,28)/t20-/m0/s1
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Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTRA4 and Actin-LC3B-dNGLuc after 24 hrs by luciferase release assay


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Calpain-1/Calpain-2 catalytic subunit


(Homo sapiens (Human))
BDBM50536834
PNG
(CHEMBL4590201)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1
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Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of calpain (unknown origin) using calpain substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader a...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Calpain-1/Calpain-2 catalytic subunit


(Homo sapiens (Human))
BDBM50536839
PNG
(CHEMBL2402203 | acs.jmedchem.1c00409_ST.724)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF |r|
Show InChI InChI=1S/C21H23FN2O4/c1-15(19(25)13-22)23-20(26)18(12-16-8-4-2-5-9-16)24-21(27)28-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,23,26)(H,24,27)/t15-,18-/m0/s1
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Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of calpain (unknown origin) using calpain substrate preincubated for 20 mins followed by substrate addition by fluorescence plate reader a...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50536834
PNG
(CHEMBL4590201)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1
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Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of recombinant human cathepsin B (332 residues) expressed in CHO cells using Z-FR-AMC as substrate preincubated for 20 mins followed by su...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536858
PNG
(CHEMBL4578571)
Show SMILES COc1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)CF |r|
Show InChI InChI=1S/C20H21FN2O4/c1-27-17-9-5-8-15(11-17)19(25)23-18(10-14-6-3-2-4-7-14)20(26)22-13-16(24)12-21/h2-9,11,18H,10,12-13H2,1H3,(H,22,26)(H,23,25)/t18-/m0/s1
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Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536849
PNG
(CHEMBL4574173)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C20H21FN2O3/c21-13-17(24)14-22-20(26)18(11-15-7-3-1-4-8-15)23-19(25)12-16-9-5-2-6-10-16/h1-10,18H,11-14H2,(H,22,26)(H,23,25)/t18-/m0/s1
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n/an/a 920n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTRA4 and Actin-LC3B-dNGLuc after 24 hrs by luciferase release assay


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536836
PNG
(CHEMBL4579064)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1 |r|
Show InChI InChI=1S/C17H17FN4O3/c18-9-13(23)10-21-16(24)14(8-12-4-2-1-3-5-12)22-17(25)15-11-19-6-7-20-15/h1-7,11,14H,8-10H2,(H,21,24)(H,22,25)/t14-/m0/s1
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n/an/a 950n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTRA4 and Actin-LC3B-dNGLuc after 24 hrs by luciferase release assay


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536836
PNG
(CHEMBL4579064)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1 |r|
Show InChI InChI=1S/C17H17FN4O3/c18-9-13(23)10-21-16(24)14(8-12-4-2-1-3-5-12)22-17(25)15-11-19-6-7-20-15/h1-7,11,14H,8-10H2,(H,21,24)(H,22,25)/t14-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536862
PNG
(CHEMBL4588146)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C19H18ClFN2O3/c20-15-8-4-7-14(10-15)18(25)23-17(9-13-5-2-1-3-6-13)19(26)22-12-16(24)11-21/h1-8,10,17H,9,11-12H2,(H,22,26)(H,23,25)/t17-/m0/s1
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n/an/a 1.01E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536847
PNG
(CHEMBL4535723)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H18F4N2O3/c21-11-16(27)12-25-19(29)17(9-13-5-2-1-3-6-13)26-18(28)14-7-4-8-15(10-14)20(22,23)24/h1-8,10,17H,9,11-12H2,(H,25,29)(H,26,28)/t17-/m0/s1
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n/an/a 1.04E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536846
PNG
(CHEMBL4567655)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C23H21FN2O3/c24-14-20(27)15-25-23(29)21(12-16-6-2-1-3-7-16)26-22(28)19-11-10-17-8-4-5-9-18(17)13-19/h1-11,13,21H,12,14-15H2,(H,25,29)(H,26,28)/t21-/m0/s1
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n/an/a 1.08E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536851
PNG
(CHEMBL4539211)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C20H20ClFN2O4/c21-16-8-4-7-15(9-16)10-18(19(26)23-12-17(25)11-22)24-20(27)28-13-14-5-2-1-3-6-14/h1-9,18H,10-13H2,(H,23,26)(H,24,27)/t18-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536837
PNG
(CHEMBL4572200)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C20H21FN2O4/c21-12-17(24)13-22-19(25)18(11-15-7-3-1-4-8-15)23-20(26)27-14-16-9-5-2-6-10-16/h1-10,18H,11-14H2,(H,22,25)(H,23,26)/t18-/m0/s1
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n/an/a 1.13E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536846
PNG
(CHEMBL4567655)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2c1 |r|
Show InChI InChI=1S/C23H21FN2O3/c24-14-20(27)15-25-23(29)21(12-16-6-2-1-3-7-16)26-22(28)19-11-10-17-8-4-5-9-18(17)13-19/h1-11,13,21H,12,14-15H2,(H,25,29)(H,26,28)/t21-/m0/s1
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n/an/a 1.19E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTRA4 and Actin-LC3B-dNGLuc after 24 hrs by luciferase release assay


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536837
PNG
(CHEMBL4572200)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C20H21FN2O4/c21-12-17(24)13-22-19(25)18(11-15-7-3-1-4-8-15)23-20(26)27-14-16-9-5-2-6-10-16/h1-10,18H,11-14H2,(H,22,25)(H,23,26)/t18-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of full length N-terminal His6-tagged ATG4B (unknown origin) expressed in Escherichia coli BL21(DE3) cells using His-GATE-16-GST as substr...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536834
PNG
(CHEMBL4590201)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1
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n/an/a 1.21E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536862
PNG
(CHEMBL4588146)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C19H18ClFN2O3/c20-15-8-4-7-14(10-15)18(25)23-17(9-13-5-2-1-3-6-13)19(26)22-12-16(24)11-21/h1-8,10,17H,9,11-12H2,(H,22,26)(H,23,25)/t17-/m0/s1
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n/an/a 1.27E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTRA4 and Actin-LC3B-dNGLuc after 24 hrs by luciferase release assay


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536837
PNG
(CHEMBL4572200)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C20H21FN2O4/c21-12-17(24)13-22-19(25)18(11-15-7-3-1-4-8-15)23-20(26)27-14-16-9-5-2-6-10-16/h1-10,18H,11-14H2,(H,22,25)(H,23,26)/t18-/m0/s1
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n/an/a 1.47E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTRA4 and Actin-LC3B-dNGLuc after 24 hrs by luciferase release assay


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536847
PNG
(CHEMBL4535723)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H18F4N2O3/c21-11-16(27)12-25-19(29)17(9-13-5-2-1-3-6-13)26-18(28)14-7-4-8-15(10-14)20(22,23)24/h1-8,10,17H,9,11-12H2,(H,25,29)(H,26,28)/t17-/m0/s1
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n/an/a 1.76E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTRA4 and Actin-LC3B-dNGLuc after 24 hrs by luciferase release assay


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536851
PNG
(CHEMBL4539211)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C20H20ClFN2O4/c21-16-8-4-7-15(9-16)10-18(19(26)23-12-17(25)11-22)24-20(27)28-13-14-5-2-1-3-6-14/h1-9,18H,10-13H2,(H,23,26)(H,24,27)/t18-/m0/s1
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n/an/a 1.78E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTRA4 and Actin-LC3B-dNGLuc after 24 hrs by luciferase release assay


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536848
PNG
(CHEMBL4569375)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1 |r|
Show InChI InChI=1S/C18H23FN2O3/c19-11-15(22)12-20-18(24)16(10-13-6-2-1-3-7-13)21-17(23)14-8-4-5-9-14/h1-3,6-7,14,16H,4-5,8-12H2,(H,20,24)(H,21,23)/t16-/m0/s1
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n/an/a 1.86E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536832
PNG
(CHEMBL4562540)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)CF |r|
Show InChI InChI=1S/C17H23FN2O4/c1-17(2,3)24-16(23)20-14(9-12-7-5-4-6-8-12)15(22)19-11-13(21)10-18/h4-8,14H,9-11H2,1-3H3,(H,19,22)(H,20,23)/t14-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536834
PNG
(CHEMBL4590201)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r|
Show InChI InChI=1S/C19H19FN2O3/c20-12-16(23)13-21-19(25)17(11-14-7-3-1-4-8-14)22-18(24)15-9-5-2-6-10-15/h1-10,17H,11-13H2,(H,21,25)(H,22,24)/t17-/m0/s1
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n/an/a 2.57E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTRA4 and Actin-LC3B-dNGLuc after 24 hrs by luciferase release assay


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536858
PNG
(CHEMBL4578571)
Show SMILES COc1cccc(c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)CF |r|
Show InChI InChI=1S/C20H21FN2O4/c1-27-17-9-5-8-15(11-17)19(25)23-18(10-14-6-3-2-4-7-14)20(26)22-13-16(24)12-21/h2-9,11,18H,10,12-13H2,1H3,(H,22,26)(H,23,25)/t18-/m0/s1
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n/an/a 2.99E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTRA4 and Actin-LC3B-dNGLuc after 24 hrs by luciferase release assay


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536867
PNG
(CHEMBL4554009)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnn1 |r|
Show InChI InChI=1S/C17H17FN4O3/c18-10-13(23)11-19-16(24)15(9-12-5-2-1-3-6-12)21-17(25)14-7-4-8-20-22-14/h1-8,15H,9-11H2,(H,19,24)(H,21,25)/t15-/m0/s1
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n/an/a 3.61E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536849
PNG
(CHEMBL4574173)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1 |r|
Show InChI InChI=1S/C20H21FN2O3/c21-13-17(24)14-22-20(26)18(11-15-7-3-1-4-8-15)23-19(25)12-16-9-5-2-6-10-16/h1-10,18H,11-14H2,(H,22,26)(H,23,25)/t18-/m0/s1
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n/an/a 3.76E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536848
PNG
(CHEMBL4569375)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCCC1 |r|
Show InChI InChI=1S/C18H23FN2O3/c19-11-15(22)12-20-18(24)16(10-13-6-2-1-3-7-13)21-17(23)14-8-4-5-9-14/h1-3,6-7,14,16H,4-5,8-12H2,(H,20,24)(H,21,23)/t16-/m0/s1
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n/an/a 4.06E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTRA4 and Actin-LC3B-dNGLuc after 24 hrs by luciferase release assay


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536850
PNG
(CHEMBL4570064)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1cccc(F)c1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C20H20F2N2O4/c21-11-17(25)12-23-19(26)18(10-15-7-4-8-16(22)9-15)24-20(27)28-13-14-5-2-1-3-6-14/h1-9,18H,10-13H2,(H,23,26)(H,24,27)/t18-/m0/s1
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n/an/a 4.12E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536832
PNG
(CHEMBL4562540)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)CF |r|
Show InChI InChI=1S/C17H23FN2O4/c1-17(2,3)24-16(23)20-14(9-12-7-5-4-6-8-12)15(22)19-11-13(21)10-18/h4-8,14H,9-11H2,1-3H3,(H,19,22)(H,20,23)/t14-/m0/s1
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n/an/a 4.47E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTRA4 and Actin-LC3B-dNGLuc after 24 hrs by luciferase release assay


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536843
PNG
(CHEMBL4566679)
Show SMILES COc1ccc2ccccc2c1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)CF |r|
Show InChI InChI=1S/C24H23FN2O4/c1-31-21-12-11-17-9-5-6-10-19(17)22(21)24(30)27-20(13-16-7-3-2-4-8-16)23(29)26-15-18(28)14-25/h2-12,20H,13-15H2,1H3,(H,26,29)(H,27,30)/t20-/m0/s1
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n/an/a 4.79E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536839
PNG
(CHEMBL2402203 | acs.jmedchem.1c00409_ST.724)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF |r|
Show InChI InChI=1S/C21H23FN2O4/c1-15(19(25)13-22)23-20(26)18(12-16-8-4-2-5-9-16)24-21(27)28-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,23,26)(H,24,27)/t15-,18-/m0/s1
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MCE
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UniChem
Article
PubMed
n/an/a 5.09E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTRA4 and Actin-LC3B-dNGLuc after 24 hrs by luciferase release assay


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536850
PNG
(CHEMBL4570064)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1cccc(F)c1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C20H20F2N2O4/c21-11-17(25)12-23-19(26)18(10-15-7-4-8-16(22)9-15)24-20(27)28-13-14-5-2-1-3-6-14/h1-9,18H,10-13H2,(H,23,26)(H,24,27)/t18-/m0/s1
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n/an/a 5.68E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTRA4 and Actin-LC3B-dNGLuc after 24 hrs by luciferase release assay


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536866
PNG
(CHEMBL4525169)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2cccnc12 |r|
Show InChI InChI=1S/C22H20FN3O3/c23-13-17(27)14-25-22(29)19(12-15-6-2-1-3-7-15)26-21(28)18-10-4-8-16-9-5-11-24-20(16)18/h1-11,19H,12-14H2,(H,25,29)(H,26,28)/t19-/m0/s1
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n/an/a 6.48E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536860
PNG
(CHEMBL4527514)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)COc1ccccc1 |r|
Show InChI InChI=1S/C20H21FN2O4/c21-12-16(24)13-22-20(26)18(11-15-7-3-1-4-8-15)23-19(25)14-27-17-9-5-2-6-10-17/h1-10,18H,11-14H2,(H,22,26)(H,23,25)/t18-/m0/s1
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n/an/a 9.13E+3n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536859
PNG
(CHEMBL4540188)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1 |r|
Show InChI InChI=1S/C21H23FN2O3/c22-14-18(25)15-23-21(27)19(13-17-9-5-2-6-10-17)24-20(26)12-11-16-7-3-1-4-8-16/h1-10,19H,11-15H2,(H,23,27)(H,24,26)/t19-/m0/s1
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n/an/a 1.17E+4n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
Cysteine protease ATG4B


(Homo sapiens (Human))
BDBM50536866
PNG
(CHEMBL4525169)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2cccnc12 |r|
Show InChI InChI=1S/C22H20FN3O3/c23-13-17(27)14-25-22(29)19(12-15-6-2-1-3-7-15)26-21(28)18-10-4-8-16-9-5-11-24-20(16)18/h1-11,19H,12-14H2,(H,25,29)(H,26,28)/t19-/m0/s1
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n/an/a 1.23E+4n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTRA4 and Actin-LC3B-dNGLuc after 24 hrs by luciferase release assay


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
BindingDB Entry DOI: 10.7270/Q2QF8XCR
More data for this
Ligand-Target Pair
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